A Molecular-Modeling Toolbox Aimed at Bridging the Gap between Medicinal Chemistry and Computational Sciences

A Molecular-Modeling Toolbox Aimed at Bridging the Gap between Medicinal Chemistry and Computational Sciences

In the current era of high-throughput drug discovery and development, molecular modeling has become an indispensable tool for identifying, optimizing and prioritizing small-molecule drug candidates. The required background in computational chemistry and the knowledge of how to handle the complex und...

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Bibliographic Details
Main Authors: Sameh Eid, Adam Zalewski, Martin Smieško, Beat Ernst, Angelo Vedani
Format: Article
Language:English
Published: MDPI AG 2013-01-01
Series:International Journal of Molecular Sciences
Subjects:
computer-aided drug discovery
structure-based design
multi-dimensional QSAR
molecular dynamics
single-click molecular modeling
Online Access:http://www.mdpi.com/1422-0067/14/1/684

Internet

http://www.mdpi.com/1422-0067/14/1/684

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